SW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C12 | doub | 1.21Å | 1.19Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.51Å | 1.57Å | |
| C09 | C10 | sing | 1.51Å | 1.55Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | sing | 1.41Å | 1.54Å | |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C02 | sing | 1.40Å | 1.42Å | Aromatic |
| C07 | N06 | sing | 1.33Å | 1.33Å | Aromatic |
| N06 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.46Å | |
| C02 | N03 | doub | 1.33Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.44Å | Aromatic |
| C10 | C25 | sing | 1.37Å | 1.53Å | Aromatic |
| C11 | S16 | sing | 1.76Å | 1.64Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C17 | doub | 1.34Å | 1.44Å | Aromatic |
| S16 | C17 | sing | 1.71Å | 1.64Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| O20 | P21 | sing | 1.61Å | 1.65Å | |
| O24 | P21 | doub | 1.48Å | 1.51Å | |
| P21 | O22 | sing | 1.61Å | 1.51Å | |
| P21 | O23 | sing | 1.61Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| O22 | H1 | sing | 0.97Å | 0.95Å | |
| O23 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C12 | C13 | 121.1° | 120.0° |
| O15 | C12 | C11 | 120.6° | 120.0° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H131 | 108.9° | 109.4° |
| C14 | C13 | H132 | 109.0° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.4° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| C08 | C09 | C10 | 109.2° | 109.5° |
| C09 | C08 | C07 | 119.6° | 120.8° |
| C09 | C08 | C02 | 123.2° | 120.9° |
| C08 | C09 | H092 | 109.6° | 109.5° |
| C08 | C09 | H091 | 109.6° | 109.5° |
| C09 | C10 | C11 | 128.0° | 123.4° |
| C09 | C10 | C25 | 122.4° | 123.3° |
| C10 | C09 | H092 | 109.5° | 109.5° |
| C10 | C09 | H091 | 109.5° | 109.4° |
| C13 | C12 | C11 | 118.3° | 120.0° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C12 | C11 | C10 | 124.8° | 125.5° |
| C12 | C11 | S16 | 124.5° | 125.5° |
| C07 | C08 | C02 | 117.3° | 118.3° |
| C08 | C07 | N06 | 119.5° | 119.2° |
| C08 | C07 | H071 | 120.3° | 120.4° |
| C08 | C02 | N01 | 121.2° | 120.5° |
| C08 | C02 | N03 | 119.8° | 119.0° |
| C07 | N06 | C04 | 121.7° | 121.1° |
| N06 | C07 | H071 | 120.3° | 120.4° |
| N06 | C04 | N03 | 121.4° | 121.8° |
| N06 | C04 | C05 | 118.7° | 119.1° |
| N01 | C02 | N03 | 119.0° | 120.5° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N03 | C04 | 120.4° | 120.7° |
| C11 | C10 | C25 | 109.6° | 113.2° |
| C10 | C11 | S16 | 110.8° | 109.1° |
| C10 | C25 | C26 | 123.3° | 122.4° |
| C10 | C25 | C17 | 109.5° | 115.1° |
| C11 | S16 | C17 | 99.3° | 91.6° |
| N03 | C04 | C05 | 119.9° | 119.1° |
| C04 | C05 | H052 | 109.5° | 109.5° |
| C04 | C05 | H053 | 109.5° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.4° |
| C26 | C25 | C17 | 127.2° | 122.4° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.4° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C25 | C17 | S16 | 110.9° | 111.0° |
| C25 | C17 | C18 | 124.1° | 124.5° |
| S16 | C17 | C18 | 125.1° | 124.5° |
| C17 | C18 | C19 | 112.9° | 109.5° |
| C17 | C18 | H181 | 108.6° | 109.5° |
| C17 | C18 | H182 | 108.6° | 109.5° |
| C18 | C19 | O20 | 106.5° | 109.5° |
| C19 | C18 | H181 | 108.6° | 109.4° |
| C19 | C18 | H182 | 108.6° | 109.4° |
| C18 | C19 | H192 | 110.2° | 109.5° |
| C18 | C19 | H191 | 110.2° | 109.5° |
| C19 | O20 | P21 | 118.6° | 123.0° |
| O20 | C19 | H192 | 110.2° | 109.5° |
| O20 | C19 | H191 | 110.2° | 109.5° |
| O20 | P21 | O24 | 109.8° | 109.5° |
| O20 | P21 | O22 | 105.7° | 109.5° |
| O20 | P21 | O23 | 108.4° | 109.4° |
| O24 | P21 | O22 | 111.9° | 109.5° |
| O24 | P21 | O23 | 109.8° | 109.5° |
| O22 | P21 | O23 | 111.1° | 109.5° |
| P21 | O22 | H1 | 109.5° | 114.0° |
| P21 | O23 | H2 | 109.5° | 114.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.4° |
| H052 | C05 | H053 | 109.4° | 109.5° |
| H052 | C05 | H051 | 109.4° | 109.5° |
| H053 | C05 | H051 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.4° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H011 | N01 | H012 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C12 | C13 | C14 | 27.4° | 0.0° |
| O15 | C12 | C13 | C11 | 178.8° | 180.0° |
| O15 | C12 | C11 | C10 | 10.2° | 0.1° |
| O15 | C12 | C11 | S16 | 169.8° | 180.0° |
| O15 | C12 | C13 | H131 | 147.7° | 120.0° |
| O15 | C12 | C13 | H132 | 93.0° | 119.9° |
| C14 | C13 | C12 | H131 | 120.3° | 120.0° |
| C14 | C13 | C12 | H132 | 120.4° | 119.9° |
| C14 | C13 | C12 | C11 | 153.8° | 180.0° |
| C14 | C13 | H131 | H132 | 119.0° | 119.9° |
| C13 | C14 | H142 | H141 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 119.9° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C08 | C09 | C10 | H092 | 120.0° | 120.1° |
| C08 | C09 | C10 | H091 | 120.0° | 120.0° |
| C09 | C08 | C07 | C02 | 179.7° | 180.0° |
| C09 | C08 | C07 | N06 | 180.0° | 180.0° |
| C09 | C08 | C02 | N01 | 1.1° | 0.0° |
| C09 | C08 | C02 | N03 | 179.0° | 179.7° |
| C08 | C09 | C10 | C11 | 108.1° | 86.7° |
| C08 | C09 | C10 | C25 | 70.5° | 93.5° |
| C09 | C08 | C07 | H071 | 0.0° | 0.4° |
| C08 | C09 | H092 | H091 | 120.2° | 120.0° |
| C09 | C10 | C11 | C12 | 1.3° | 0.2° |
| C10 | C09 | C08 | C07 | 117.3° | 4.2° |
| C10 | C09 | C08 | C02 | 63.0° | 175.8° |
| C09 | C10 | C11 | C25 | 178.7° | 179.8° |
| C09 | C10 | C11 | S16 | 178.7° | 179.8° |
| C09 | C10 | C25 | C26 | 1.6° | 0.2° |
| C09 | C10 | C25 | C17 | 179.1° | 179.8° |
| C10 | C09 | H092 | H091 | 120.1° | 119.9° |
| C13 | C12 | C11 | C10 | 168.7° | 180.0° |
| C13 | C12 | C11 | S16 | 11.4° | 0.1° |
| C12 | C13 | H131 | H132 | 119.0° | 120.0° |
| C12 | C13 | C14 | H142 | 180.0° | 179.9° |
| C12 | C13 | C14 | H141 | 60.0° | 60.0° |
| C12 | C13 | C14 | H143 | 60.0° | 60.0° |
| C12 | C11 | C10 | S16 | 179.9° | 179.9° |
| C12 | C11 | C10 | C25 | 180.0° | 180.0° |
| C12 | C11 | S16 | C17 | 179.7° | 179.9° |
| C11 | C12 | C13 | H131 | 33.5° | 60.1° |
| C11 | C12 | C13 | H132 | 85.9° | 60.0° |
| C08 | C07 | N06 | H071 | 180.0° | 179.6° |
| C08 | C07 | N06 | C04 | 0.9° | 0.3° |
| C07 | C08 | C02 | N01 | 178.6° | 179.9° |
| C07 | C08 | C02 | N03 | 0.7° | 0.2° |
| C07 | C08 | C09 | H092 | 122.7° | 124.3° |
| C07 | C08 | C09 | H091 | 2.6° | 115.7° |
| C02 | C08 | C07 | N06 | 0.3° | 0.1° |
| C08 | C02 | N01 | N03 | 177.9° | 179.7° |
| C08 | C02 | N03 | C04 | 1.0° | 0.3° |
| C02 | C08 | C07 | H071 | 179.7° | 179.7° |
| C02 | C08 | C09 | H092 | 57.0° | 55.7° |
| C02 | C08 | C09 | H091 | 177.1° | 64.2° |
| C08 | C02 | N01 | H011 | 177.9° | 175.1° |
| C08 | C02 | N01 | H012 | 58.0° | 4.9° |
| C07 | N06 | C04 | N03 | 0.6° | 0.2° |
| C07 | N06 | C04 | C05 | 179.6° | 179.7° |
| N06 | C04 | N03 | C02 | 0.4° | 0.1° |
| N06 | C04 | N03 | C05 | 179.8° | 179.9° |
| N06 | C04 | C05 | H052 | 0.0° | 90.0° |
| N06 | C04 | C05 | H053 | 120.0° | 30.1° |
| N06 | C04 | C05 | H051 | 120.0° | 150.0° |
| C04 | N06 | C07 | H071 | 179.1° | 179.9° |
| N01 | C02 | N03 | C04 | 179.0° | 180.0° |
| C02 | N01 | H011 | H012 | 120.0° | 180.0° |
| C02 | N03 | C04 | C05 | 179.4° | 180.0° |
| N03 | C02 | N01 | H011 | 0.0° | 5.3° |
| N03 | C02 | N01 | H012 | 120.0° | 174.7° |
| C11 | C10 | C25 | C26 | 179.6° | 180.0° |
| C11 | C10 | C25 | C17 | 0.3° | 0.0° |
| C10 | C11 | S16 | C17 | 0.4° | 0.0° |
| C11 | C10 | C09 | H092 | 11.9° | 153.2° |
| C11 | C10 | C09 | H091 | 132.0° | 33.3° |
| C25 | C10 | C11 | S16 | 0.1° | 0.0° |
| C10 | C25 | C26 | C17 | 179.1° | 180.0° |
| C10 | C25 | C17 | S16 | 0.6° | 0.0° |
| C10 | C25 | C17 | C18 | 179.0° | 179.9° |
| C10 | C25 | C26 | H261 | 90.4° | 94.5° |
| C10 | C25 | C26 | H262 | 149.6° | 145.5° |
| C10 | C25 | C26 | H263 | 29.6° | 25.5° |
| C25 | C10 | C09 | H092 | 169.5° | 26.5° |
| C25 | C10 | C09 | H091 | 49.4° | 146.5° |
| C11 | S16 | C17 | C25 | 0.6° | 0.0° |
| C11 | S16 | C17 | C18 | 179.0° | 179.9° |
| N03 | C04 | C05 | H052 | 179.8° | 89.9° |
| N03 | C04 | C05 | H053 | 60.2° | 150.0° |
| N03 | C04 | C05 | H051 | 59.8° | 30.1° |
| C04 | C05 | H052 | H053 | 120.0° | 120.1° |
| C04 | C05 | H052 | H051 | 120.0° | 120.0° |
| C04 | C05 | H053 | H051 | 120.0° | 120.0° |
| C26 | C25 | C17 | S16 | 179.8° | 180.0° |
| C26 | C25 | C17 | C18 | 0.2° | 0.1° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C25 | C17 | S16 | C18 | 179.6° | 179.9° |
| C25 | C17 | C18 | C19 | 108.9° | 90.0° |
| C17 | C25 | C26 | H261 | 90.4° | 85.5° |
| C17 | C25 | C26 | H262 | 29.6° | 34.5° |
| C17 | C25 | C26 | H263 | 149.5° | 154.5° |
| C25 | C17 | C18 | H181 | 130.6° | 150.0° |
| C25 | C17 | C18 | H182 | 11.7° | 30.0° |
| S16 | C17 | C18 | C19 | 71.6° | 90.1° |
| S16 | C17 | C18 | H181 | 48.9° | 29.9° |
| S16 | C17 | C18 | H182 | 167.8° | 150.0° |
| C17 | C18 | C19 | H181 | 120.5° | 120.0° |
| C17 | C18 | C19 | H182 | 120.5° | 120.0° |
| C17 | C18 | C19 | O20 | 163.2° | 180.0° |
| C17 | C18 | H181 | H182 | 118.4° | 120.1° |
| C17 | C18 | C19 | H192 | 77.3° | 60.0° |
| C17 | C18 | C19 | H191 | 43.6° | 60.0° |
| C18 | C19 | O20 | H192 | 119.6° | 120.0° |
| C18 | C19 | O20 | H191 | 119.5° | 120.0° |
| C18 | C19 | O20 | P21 | 150.8° | 180.0° |
| C19 | C18 | H181 | H182 | 118.4° | 120.0° |
| C18 | C19 | H192 | H191 | 121.3° | 120.0° |
| C19 | O20 | P21 | O24 | 78.7° | 55.0° |
| C19 | O20 | P21 | O22 | 42.2° | 65.0° |
| C19 | O20 | P21 | O23 | 161.4° | 175.0° |
| O20 | C19 | C18 | H181 | 42.6° | 60.0° |
| O20 | C19 | C18 | H182 | 76.3° | 60.0° |
| O20 | C19 | H192 | H191 | 121.4° | 120.0° |
| O20 | P21 | O24 | O22 | 117.1° | 120.0° |
| O20 | P21 | O24 | O23 | 119.1° | 120.0° |
| O20 | P21 | O22 | O23 | 117.4° | 120.0° |
| P21 | O20 | C19 | H192 | 89.6° | 60.0° |
| P21 | O20 | C19 | H191 | 31.3° | 60.0° |
| O20 | P21 | O22 | H1 | 119.5° | 60.0° |
| O20 | P21 | O23 | H2 | 119.9° | 180.0° |
| O24 | P21 | O22 | O23 | 123.1° | 120.0° |
| O24 | P21 | O22 | H1 | 0.0° | 180.0° |
| O24 | P21 | O23 | H2 | 0.0° | 60.0° |
| O22 | P21 | O23 | H2 | 124.3° | 60.0° |
| O23 | P21 | O22 | H1 | 123.1° | 60.0° |
| H131 | C13 | C14 | H142 | 59.7° | 59.9° |
| H131 | C13 | C14 | H141 | 60.3° | 180.0° |
| H131 | C13 | C14 | H143 | 179.7° | 60.0° |
| H132 | C13 | C14 | H142 | 59.7° | 60.1° |
| H132 | C13 | C14 | H141 | 179.7° | 60.0° |
| H132 | C13 | C14 | H143 | 60.3° | NaN° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H052 | C05 | H053 | H051 | 119.9° | 120.0° |
| H142 | C14 | H141 | H143 | 120.0° | 120.0° |
| H181 | C18 | C19 | H192 | 162.2° | 180.0° |
| H181 | C18 | C19 | H191 | 76.9° | 60.0° |
| H182 | C18 | C19 | H192 | 43.2° | 60.0° |
| H182 | C18 | C19 | H191 | 164.1° | 180.0° |
